USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= -0.0781 (180deg=-0.427) USER MOD Single : A 8 SER OG : rot 91:sc= 1.28 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.187 K(o=-0.19,f=-3!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -1.43 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.979 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0696 X(o=-0.07,f=-0.23) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 165:sc= -1.5! USER MOD Single : A 29 ASN : amide:sc= -5.74! C(o=-5.7!,f=-15!) USER MOD Single : A 30 SER OG : rot -85:sc= 0.422 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00929 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -1.29 F(o=-2.3,f=-1.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.46 K(o=0.46,f=-0.18) USER MOD Single : A 48 ASN : amide:sc= 0.0332 K(o=0.033,f=-1.2!) USER MOD Single : A 49 ASN : amide:sc= -0.115 K(o=-0.12,f=-9.4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 58 GLN : amide:sc= 0.416 X(o=0.42,f=-0.044) USER MOD Single : A 59 THR OG1 : rot 102:sc= 1.2 USER MOD Single : A 61 GLN : amide:sc= -4.56! C(o=-4.6!,f=-5.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.201 0.716 -1.458 1.00 0.00 N ATOM 2 CA ALA A 1 2.223 0.077 -2.768 1.00 71.14 C ATOM 3 C ALA A 1 2.347 1.142 -3.832 1.00 24.04 C ATOM 4 O ALA A 1 1.513 2.033 -3.920 1.00 23.13 O ATOM 5 CB ALA A 1 0.975 -0.763 -2.982 1.00 40.32 C ATOM 0 H1 ALA A 1 2.116 -0.011 -0.719 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.082 1.251 -1.318 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.390 1.364 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 1 3.080 -0.594 -2.829 1.00 71.14 H new ATOM 0 HB1 ALA A 1 1.015 -1.229 -3.966 1.00 40.32 H new ATOM 0 HB2 ALA A 1 0.921 -1.536 -2.216 1.00 40.32 H new ATOM 0 HB3 ALA A 1 0.093 -0.126 -2.918 1.00 40.32 H new ATOM 13 N ARG A 2 3.399 1.072 -4.604 1.00 24.52 N ATOM 14 CA ARG A 2 3.626 2.079 -5.628 1.00 64.52 C ATOM 15 C ARG A 2 3.944 1.428 -6.956 1.00 22.21 C ATOM 16 O ARG A 2 4.903 0.673 -7.072 1.00 24.45 O ATOM 17 CB ARG A 2 4.697 3.085 -5.191 1.00 42.14 C ATOM 18 CG ARG A 2 4.244 3.915 -4.006 1.00 15.33 C ATOM 19 CD ARG A 2 5.306 4.844 -3.478 1.00 10.12 C ATOM 20 NE ARG A 2 4.800 5.561 -2.304 1.00 45.34 N ATOM 21 CZ ARG A 2 5.391 5.597 -1.107 1.00 14.11 C ATOM 22 NH1 ARG A 2 6.580 5.036 -0.923 1.00 62.42 N ATOM 23 NH2 ARG A 2 4.782 6.205 -0.090 1.00 5.12 N ATOM 0 H ARG A 2 4.109 0.341 -4.552 1.00 24.52 H new ATOM 0 HA ARG A 2 2.707 2.649 -5.764 1.00 64.52 H new ATOM 0 HB2 ARG A 2 5.612 2.552 -4.932 1.00 42.14 H new ATOM 0 HB3 ARG A 2 4.938 3.744 -6.025 1.00 42.14 H new ATOM 0 HG2 ARG A 2 3.372 4.501 -4.296 1.00 15.33 H new ATOM 0 HG3 ARG A 2 3.927 3.247 -3.205 1.00 15.33 H new ATOM 0 HD2 ARG A 2 6.198 4.277 -3.213 1.00 10.12 H new ATOM 0 HD3 ARG A 2 5.598 5.554 -4.251 1.00 10.12 H new ATOM 0 HE ARG A 2 3.925 6.074 -2.410 1.00 45.34 H new ATOM 0 HH11 ARG A 2 7.051 4.572 -1.700 1.00 62.42 H new ATOM 0 HH12 ARG A 2 7.023 5.069 -0.005 1.00 62.42 H new ATOM 0 HH21 ARG A 2 3.870 6.640 -0.228 1.00 5.12 H new ATOM 0 HH22 ARG A 2 5.228 6.236 0.827 1.00 5.12 H new ATOM 37 N PRO A 3 3.121 1.695 -7.968 1.00 41.21 N ATOM 38 CA PRO A 3 3.251 1.102 -9.275 1.00 12.44 C ATOM 39 C PRO A 3 3.965 1.982 -10.303 1.00 41.52 C ATOM 40 O PRO A 3 3.956 3.221 -10.219 1.00 62.01 O ATOM 41 CB PRO A 3 1.790 0.914 -9.680 1.00 3.12 C ATOM 42 CG PRO A 3 1.008 1.943 -8.906 1.00 73.32 C ATOM 43 CD PRO A 3 1.950 2.570 -7.911 1.00 4.01 C ATOM 0 HA PRO A 3 3.858 0.197 -9.244 1.00 12.44 H new ATOM 0 HB2 PRO A 3 1.662 1.053 -10.753 1.00 3.12 H new ATOM 0 HB3 PRO A 3 1.447 -0.094 -9.446 1.00 3.12 H new ATOM 0 HG2 PRO A 3 0.599 2.699 -9.577 1.00 73.32 H new ATOM 0 HG3 PRO A 3 0.164 1.480 -8.396 1.00 73.32 H new ATOM 0 HD2 PRO A 3 2.199 3.596 -8.183 1.00 4.01 H new ATOM 0 HD3 PRO A 3 1.518 2.601 -6.911 1.00 4.01 H new ATOM 51 N LYS A 4 4.589 1.327 -11.280 1.00 20.34 N ATOM 52 CA LYS A 4 5.220 2.046 -12.364 1.00 24.01 C ATOM 53 C LYS A 4 4.860 1.350 -13.678 1.00 31.13 C ATOM 54 O LYS A 4 5.249 0.195 -13.887 1.00 41.13 O ATOM 55 CB LYS A 4 6.756 2.353 -12.241 1.00 21.13 C ATOM 56 CG LYS A 4 7.099 3.299 -11.106 1.00 55.50 C ATOM 57 CD LYS A 4 8.500 3.869 -11.267 1.00 10.32 C ATOM 58 CE LYS A 4 8.766 4.969 -10.255 1.00 71.30 C ATOM 59 NZ LYS A 4 7.874 6.132 -10.465 1.00 44.44 N ATOM 0 H LYS A 4 4.666 0.311 -11.336 1.00 20.34 H new ATOM 0 HA LYS A 4 4.812 3.056 -12.323 1.00 24.01 H new ATOM 0 HB2 LYS A 4 7.294 1.416 -12.097 1.00 21.13 H new ATOM 0 HB3 LYS A 4 7.108 2.782 -13.179 1.00 21.13 H new ATOM 0 HG2 LYS A 4 6.374 4.113 -11.076 1.00 55.50 H new ATOM 0 HG3 LYS A 4 7.026 2.771 -10.155 1.00 55.50 H new ATOM 0 HD2 LYS A 4 9.235 3.074 -11.145 1.00 10.32 H new ATOM 0 HD3 LYS A 4 8.621 4.263 -12.276 1.00 10.32 H new ATOM 0 HE2 LYS A 4 8.624 4.579 -9.247 1.00 71.30 H new ATOM 0 HE3 LYS A 4 9.805 5.289 -10.330 1.00 71.30 H new ATOM 0 HZ1 LYS A 4 8.276 6.968 -9.994 1.00 44.44 H new ATOM 0 HZ2 LYS A 4 7.782 6.319 -11.484 1.00 44.44 H new ATOM 0 HZ3 LYS A 4 6.936 5.927 -10.064 1.00 44.44 H new ATOM 73 N ASP A 5 4.027 1.999 -14.495 1.00 64.23 N ATOM 74 CA ASP A 5 3.656 1.350 -15.771 1.00 71.31 C ATOM 75 C ASP A 5 4.855 1.572 -16.649 1.00 20.24 C ATOM 76 O ASP A 5 5.846 2.155 -16.152 1.00 62.32 O ATOM 77 CB ASP A 5 2.422 1.988 -16.445 1.00 23.13 C ATOM 78 CG ASP A 5 1.184 2.007 -15.590 1.00 2.44 C ATOM 79 OD1 ASP A 5 0.565 0.942 -15.361 1.00 52.35 O ATOM 80 OD2 ASP A 5 0.797 3.095 -15.107 1.00 72.21 O ATOM 0 H ASP A 5 3.614 2.915 -14.321 1.00 64.23 H new ATOM 0 HA ASP A 5 3.395 0.305 -15.606 1.00 71.31 H new ATOM 0 HB2 ASP A 5 2.668 3.011 -16.729 1.00 23.13 H new ATOM 0 HB3 ASP A 5 2.205 1.445 -17.365 1.00 23.13 H new ATOM 85 N ARG A 6 4.906 1.187 -17.901 1.00 51.23 N ATOM 86 CA ARG A 6 5.922 1.514 -18.861 1.00 73.30 C ATOM 87 C ARG A 6 6.158 2.991 -18.887 1.00 33.33 C ATOM 88 O ARG A 6 5.208 3.768 -18.675 1.00 41.34 O ATOM 89 CB ARG A 6 5.528 1.055 -20.300 1.00 1.35 C ATOM 90 CG ARG A 6 5.241 -0.447 -20.517 1.00 54.52 C ATOM 91 CD ARG A 6 3.922 -0.891 -19.897 1.00 1.55 C ATOM 92 NE ARG A 6 2.803 -0.068 -20.380 1.00 73.35 N ATOM 93 CZ ARG A 6 1.679 0.193 -19.696 1.00 42.54 C ATOM 94 NH1 ARG A 6 1.409 -0.446 -18.558 1.00 54.14 N ATOM 95 NH2 ARG A 6 0.813 1.077 -20.164 1.00 20.54 N ATOM 0 H ARG A 6 4.181 0.592 -18.302 1.00 51.23 H new ATOM 0 HA ARG A 6 6.827 0.989 -18.556 1.00 73.30 H new ATOM 0 HB2 ARG A 6 4.641 1.613 -20.600 1.00 1.35 H new ATOM 0 HB3 ARG A 6 6.331 1.345 -20.977 1.00 1.35 H new ATOM 0 HG2 ARG A 6 5.224 -0.658 -21.586 1.00 54.52 H new ATOM 0 HG3 ARG A 6 6.054 -1.033 -20.089 1.00 54.52 H new ATOM 0 HD2 ARG A 6 3.738 -1.938 -20.139 1.00 1.55 H new ATOM 0 HD3 ARG A 6 3.986 -0.821 -18.811 1.00 1.55 H new ATOM 0 HE ARG A 6 2.889 0.338 -21.312 1.00 73.35 H new ATOM 0 HH11 ARG A 6 2.061 -1.143 -18.197 1.00 54.14 H new ATOM 0 HH12 ARG A 6 0.551 -0.238 -18.048 1.00 54.14 H new ATOM 0 HH21 ARG A 6 1.001 1.559 -21.043 1.00 20.54 H new ATOM 0 HH22 ARG A 6 -0.042 1.277 -19.645 1.00 20.54 H new ATOM 109 N PRO A 7 7.436 3.372 -19.112 1.00 71.34 N ATOM 110 CA PRO A 7 7.919 4.730 -19.252 1.00 3.23 C ATOM 111 C PRO A 7 6.862 5.740 -19.589 1.00 70.34 C ATOM 112 O PRO A 7 6.601 6.605 -18.751 1.00 23.21 O ATOM 113 CB PRO A 7 8.916 4.545 -20.383 1.00 74.54 C ATOM 114 CG PRO A 7 9.571 3.243 -20.067 1.00 63.24 C ATOM 115 CD PRO A 7 8.576 2.451 -19.241 1.00 14.44 C ATOM 0 HA PRO A 7 8.324 5.140 -18.327 1.00 3.23 H new ATOM 0 HB2 PRO A 7 8.420 4.519 -21.353 1.00 74.54 H new ATOM 0 HB3 PRO A 7 9.639 5.360 -20.416 1.00 74.54 H new ATOM 0 HG2 PRO A 7 9.831 2.707 -20.980 1.00 63.24 H new ATOM 0 HG3 PRO A 7 10.497 3.399 -19.514 1.00 63.24 H new ATOM 0 HD2 PRO A 7 8.290 1.523 -19.736 1.00 14.44 H new ATOM 0 HD3 PRO A 7 8.986 2.180 -18.268 1.00 14.44 H new ATOM 123 N SER A 8 6.247 5.620 -20.779 1.00 23.54 N ATOM 124 CA SER A 8 5.165 6.504 -21.258 1.00 22.11 C ATOM 125 C SER A 8 5.590 7.985 -21.255 1.00 73.15 C ATOM 126 O SER A 8 5.959 8.541 -22.279 1.00 65.05 O ATOM 127 CB SER A 8 3.903 6.332 -20.384 1.00 60.04 C ATOM 128 OG SER A 8 3.503 4.969 -20.309 1.00 75.31 O ATOM 0 H SER A 8 6.492 4.891 -21.450 1.00 23.54 H new ATOM 0 HA SER A 8 4.945 6.214 -22.285 1.00 22.11 H new ATOM 0 HB2 SER A 8 4.099 6.710 -19.381 1.00 60.04 H new ATOM 0 HB3 SER A 8 3.089 6.929 -20.796 1.00 60.04 H new ATOM 0 HG SER A 8 3.933 4.544 -19.537 1.00 75.31 H new ATOM 134 N TYR A 9 5.608 8.551 -20.044 1.00 72.43 N ATOM 135 CA TYR A 9 5.908 9.973 -19.885 1.00 52.32 C ATOM 136 C TYR A 9 7.384 10.151 -20.170 1.00 42.24 C ATOM 137 O TYR A 9 7.840 11.179 -20.590 1.00 24.55 O ATOM 138 CB TYR A 9 5.611 10.347 -18.457 1.00 23.31 C ATOM 139 CG TYR A 9 4.155 10.219 -18.163 1.00 14.03 C ATOM 140 CD1 TYR A 9 3.246 10.529 -19.148 1.00 71.23 C ATOM 141 CD2 TYR A 9 3.686 9.769 -16.943 1.00 63.23 C ATOM 142 CE1 TYR A 9 1.896 10.410 -18.937 1.00 13.54 C ATOM 143 CE2 TYR A 9 2.331 9.640 -16.717 1.00 32.25 C ATOM 144 CZ TYR A 9 1.440 9.964 -17.719 1.00 4.43 C ATOM 145 OH TYR A 9 0.079 9.828 -17.504 1.00 35.34 O ATOM 0 H TYR A 9 5.421 8.054 -19.173 1.00 72.43 H new ATOM 0 HA TYR A 9 5.318 10.598 -20.556 1.00 52.32 H new ATOM 0 HB2 TYR A 9 6.179 9.706 -17.784 1.00 23.31 H new ATOM 0 HB3 TYR A 9 5.935 11.371 -18.271 1.00 23.31 H new ATOM 0 HD1 TYR A 9 3.603 10.873 -20.107 1.00 71.23 H new ATOM 0 HD2 TYR A 9 4.386 9.516 -16.160 1.00 63.23 H new ATOM 0 HE1 TYR A 9 1.198 10.664 -19.720 1.00 13.54 H new ATOM 0 HE2 TYR A 9 1.970 9.288 -15.762 1.00 32.25 H new ATOM 0 HH TYR A 9 -0.077 9.502 -16.593 1.00 35.34 H new ATOM 155 N CYS A 10 8.074 9.059 -19.891 1.00 22.00 N ATOM 156 CA CYS A 10 9.460 9.025 -20.228 1.00 30.03 C ATOM 157 C CYS A 10 9.563 9.251 -21.764 1.00 25.54 C ATOM 158 O CYS A 10 10.272 10.136 -22.188 1.00 62.14 O ATOM 159 CB CYS A 10 10.050 7.640 -19.915 1.00 62.01 C ATOM 160 SG CYS A 10 9.849 7.036 -18.191 1.00 54.50 S ATOM 0 H CYS A 10 7.702 8.219 -19.448 1.00 22.00 H new ATOM 0 HA CYS A 10 10.000 9.783 -19.661 1.00 30.03 H new ATOM 0 HB2 CYS A 10 9.592 6.914 -20.587 1.00 62.01 H new ATOM 0 HB3 CYS A 10 11.115 7.662 -20.147 1.00 62.01 H new ATOM 165 N ASN A 11 8.761 8.579 -22.572 1.00 34.43 N ATOM 166 CA ASN A 11 8.983 8.595 -24.040 1.00 50.33 C ATOM 167 C ASN A 11 8.348 9.817 -24.682 1.00 73.14 C ATOM 168 O ASN A 11 8.415 9.996 -25.891 1.00 24.55 O ATOM 169 CB ASN A 11 8.462 7.356 -24.747 1.00 43.10 C ATOM 170 CG ASN A 11 9.116 6.045 -24.354 1.00 33.04 C ATOM 171 OD1 ASN A 11 9.592 5.868 -23.235 1.00 63.22 O ATOM 172 ND2 ASN A 11 9.107 5.094 -25.262 1.00 45.20 N ATOM 0 H ASN A 11 7.964 8.023 -22.264 1.00 34.43 H new ATOM 0 HA ASN A 11 10.066 8.622 -24.160 1.00 50.33 H new ATOM 0 HB2 ASN A 11 7.391 7.277 -24.558 1.00 43.10 H new ATOM 0 HB3 ASN A 11 8.587 7.495 -25.821 1.00 43.10 H new ATOM 0 HD21 ASN A 11 9.502 4.179 -25.046 1.00 45.20 H new ATOM 0 HD22 ASN A 11 8.705 5.271 -26.182 1.00 45.20 H new ATOM 179 N LEU A 12 7.710 10.630 -23.854 1.00 1.43 N ATOM 180 CA LEU A 12 6.937 11.762 -24.368 1.00 30.01 C ATOM 181 C LEU A 12 7.845 12.832 -25.016 1.00 75.52 C ATOM 182 O LEU A 12 9.023 12.968 -24.673 1.00 20.52 O ATOM 183 CB LEU A 12 6.020 12.370 -23.304 1.00 45.34 C ATOM 184 CG LEU A 12 4.866 11.521 -22.797 1.00 55.32 C ATOM 185 CD1 LEU A 12 3.995 12.354 -21.882 1.00 40.33 C ATOM 186 CD2 LEU A 12 4.043 10.970 -23.954 1.00 1.23 C ATOM 0 H LEU A 12 7.708 10.534 -22.838 1.00 1.43 H new ATOM 0 HA LEU A 12 6.291 11.367 -25.152 1.00 30.01 H new ATOM 0 HB2 LEU A 12 6.636 12.644 -22.448 1.00 45.34 H new ATOM 0 HB3 LEU A 12 5.605 13.294 -23.707 1.00 45.34 H new ATOM 0 HG LEU A 12 5.270 10.674 -22.243 1.00 55.32 H new ATOM 0 HD11 LEU A 12 3.166 11.747 -21.517 1.00 40.33 H new ATOM 0 HD12 LEU A 12 4.587 12.706 -21.037 1.00 40.33 H new ATOM 0 HD13 LEU A 12 3.603 13.210 -22.432 1.00 40.33 H new ATOM 0 HD21 LEU A 12 3.224 10.366 -23.563 1.00 1.23 H new ATOM 0 HD22 LEU A 12 3.638 11.796 -24.538 1.00 1.23 H new ATOM 0 HD23 LEU A 12 4.677 10.353 -24.590 1.00 1.23 H new ATOM 198 N PRO A 13 7.299 13.594 -25.973 1.00 22.34 N ATOM 199 CA PRO A 13 8.061 14.515 -26.787 1.00 31.03 C ATOM 200 C PRO A 13 8.459 15.875 -26.151 1.00 4.23 C ATOM 201 O PRO A 13 7.743 16.470 -25.339 1.00 12.33 O ATOM 202 CB PRO A 13 7.171 14.729 -28.021 1.00 73.30 C ATOM 203 CG PRO A 13 5.993 13.836 -27.836 1.00 41.31 C ATOM 204 CD PRO A 13 5.892 13.599 -26.374 1.00 22.23 C ATOM 0 HA PRO A 13 9.041 14.079 -26.982 1.00 31.03 H new ATOM 0 HB2 PRO A 13 6.862 15.771 -28.103 1.00 73.30 H new ATOM 0 HB3 PRO A 13 7.708 14.482 -28.937 1.00 73.30 H new ATOM 0 HG2 PRO A 13 5.085 14.301 -28.221 1.00 41.31 H new ATOM 0 HG3 PRO A 13 6.124 12.898 -28.376 1.00 41.31 H new ATOM 0 HD2 PRO A 13 5.326 14.383 -25.871 1.00 22.23 H new ATOM 0 HD3 PRO A 13 5.399 12.654 -26.146 1.00 22.23 H new ATOM 212 N ALA A 14 9.703 16.263 -26.555 1.00 72.31 N ATOM 213 CA ALA A 14 10.197 17.561 -26.206 1.00 72.21 C ATOM 214 C ALA A 14 9.329 18.514 -27.093 1.00 20.14 C ATOM 215 O ALA A 14 9.419 18.419 -28.336 1.00 40.54 O ATOM 216 CB ALA A 14 11.621 17.655 -26.650 1.00 52.54 C ATOM 0 H ALA A 14 10.341 15.689 -27.106 1.00 72.31 H new ATOM 0 HA ALA A 14 10.146 17.786 -25.141 1.00 72.21 H new ATOM 0 HB1 ALA A 14 12.018 18.637 -26.394 1.00 52.54 H new ATOM 0 HB2 ALA A 14 12.209 16.885 -26.151 1.00 52.54 H new ATOM 0 HB3 ALA A 14 11.676 17.512 -27.729 1.00 52.54 H new ATOM 222 N ASP A 15 8.533 19.397 -26.526 1.00 65.32 N ATOM 223 CA ASP A 15 7.797 20.386 -27.316 1.00 14.32 C ATOM 224 C ASP A 15 7.954 21.764 -26.775 1.00 60.51 C ATOM 225 O ASP A 15 7.564 22.075 -25.650 1.00 3.31 O ATOM 226 CB ASP A 15 6.337 20.063 -27.642 1.00 64.50 C ATOM 227 CG ASP A 15 6.137 18.913 -28.606 1.00 62.15 C ATOM 228 OD1 ASP A 15 6.252 17.748 -28.234 1.00 62.42 O ATOM 229 OD2 ASP A 15 5.816 19.174 -29.787 1.00 73.20 O ATOM 0 H ASP A 15 8.373 19.457 -25.520 1.00 65.32 H new ATOM 0 HA ASP A 15 8.285 20.331 -28.289 1.00 14.32 H new ATOM 0 HB2 ASP A 15 5.815 19.834 -26.713 1.00 64.50 H new ATOM 0 HB3 ASP A 15 5.868 20.954 -28.060 1.00 64.50 H new ATOM 234 N SER A 16 8.596 22.566 -27.551 1.00 31.21 N ATOM 235 CA SER A 16 9.013 23.830 -27.108 1.00 74.12 C ATOM 236 C SER A 16 7.884 24.897 -27.119 1.00 13.34 C ATOM 237 O SER A 16 7.772 25.695 -26.186 1.00 24.31 O ATOM 238 CB SER A 16 10.238 24.285 -27.863 1.00 61.22 C ATOM 239 OG SER A 16 10.005 24.419 -29.270 1.00 11.15 O ATOM 0 H SER A 16 8.844 22.352 -28.517 1.00 31.21 H new ATOM 0 HA SER A 16 9.284 23.719 -26.058 1.00 74.12 H new ATOM 0 HB2 SER A 16 10.572 25.242 -27.462 1.00 61.22 H new ATOM 0 HB3 SER A 16 11.046 23.572 -27.699 1.00 61.22 H new ATOM 0 HG SER A 16 10.828 24.717 -29.711 1.00 11.15 H new ATOM 245 N GLY A 17 6.984 24.835 -28.092 1.00 54.23 N ATOM 246 CA GLY A 17 5.973 25.889 -28.222 1.00 12.12 C ATOM 247 C GLY A 17 6.576 27.160 -28.825 1.00 44.42 C ATOM 248 O GLY A 17 7.692 27.182 -29.343 1.00 32.13 O ATOM 0 H GLY A 17 6.928 24.091 -28.787 1.00 54.23 H new ATOM 0 HA2 GLY A 17 5.155 25.537 -28.851 1.00 12.12 H new ATOM 0 HA3 GLY A 17 5.549 26.113 -27.243 1.00 12.12 H new ATOM 252 N SER A 18 5.763 28.217 -28.713 1.00 62.42 N ATOM 253 CA SER A 18 6.097 29.476 -29.432 1.00 22.41 C ATOM 254 C SER A 18 6.878 30.404 -28.495 1.00 31.24 C ATOM 255 O SER A 18 7.291 31.527 -28.824 1.00 23.43 O ATOM 256 CB SER A 18 4.808 30.119 -29.937 1.00 65.12 C ATOM 257 OG SER A 18 3.888 30.296 -28.865 1.00 53.04 O ATOM 0 H SER A 18 4.905 28.241 -28.161 1.00 62.42 H new ATOM 0 HA SER A 18 6.730 29.272 -30.296 1.00 22.41 H new ATOM 0 HB2 SER A 18 5.030 31.082 -30.396 1.00 65.12 H new ATOM 0 HB3 SER A 18 4.360 29.493 -30.709 1.00 65.12 H new ATOM 0 HG SER A 18 3.067 30.711 -29.204 1.00 53.04 H new ATOM 263 N GLY A 19 7.071 29.829 -27.372 1.00 52.44 N ATOM 264 CA GLY A 19 7.979 30.404 -26.452 1.00 71.34 C ATOM 265 C GLY A 19 7.444 31.462 -25.565 1.00 40.04 C ATOM 266 O GLY A 19 6.666 32.323 -25.959 1.00 10.43 O ATOM 0 H GLY A 19 6.619 28.968 -27.066 1.00 52.44 H new ATOM 0 HA2 GLY A 19 8.381 29.607 -25.827 1.00 71.34 H new ATOM 0 HA3 GLY A 19 8.815 30.821 -27.014 1.00 71.34 H new ATOM 270 N THR A 20 7.909 31.396 -24.387 1.00 24.14 N ATOM 271 CA THR A 20 7.663 32.303 -23.339 1.00 23.14 C ATOM 272 C THR A 20 8.826 32.279 -22.344 1.00 71.30 C ATOM 273 O THR A 20 9.481 33.305 -22.148 1.00 4.05 O ATOM 274 CB THR A 20 6.256 32.016 -22.726 1.00 23.23 C ATOM 275 OG1 THR A 20 5.100 32.315 -23.487 1.00 73.13 O ATOM 276 CG2 THR A 20 6.110 30.588 -22.172 1.00 54.43 C ATOM 0 H THR A 20 8.529 30.638 -24.101 1.00 24.14 H new ATOM 0 HA THR A 20 7.622 33.330 -23.702 1.00 23.14 H new ATOM 0 HB THR A 20 6.270 32.760 -21.930 1.00 23.23 H new ATOM 0 HG1 THR A 20 4.300 32.080 -22.973 1.00 73.13 H new ATOM 0 HG21 THR A 20 5.109 30.458 -21.762 1.00 54.43 H new ATOM 0 HG22 THR A 20 6.270 29.868 -22.975 1.00 54.43 H new ATOM 0 HG23 THR A 20 6.848 30.425 -21.387 1.00 54.43 H new ATOM 284 N LYS A 21 9.119 31.155 -21.788 1.00 33.14 N ATOM 285 CA LYS A 21 10.341 31.061 -21.023 1.00 2.21 C ATOM 286 C LYS A 21 11.205 29.973 -21.627 1.00 50.24 C ATOM 287 O LYS A 21 10.969 28.790 -21.402 1.00 33.51 O ATOM 288 CB LYS A 21 10.082 30.833 -19.525 1.00 1.12 C ATOM 289 CG LYS A 21 9.348 31.985 -18.855 1.00 14.22 C ATOM 290 CD LYS A 21 10.134 33.282 -18.966 1.00 23.32 C ATOM 291 CE LYS A 21 9.347 34.455 -18.427 1.00 72.34 C ATOM 292 NZ LYS A 21 10.091 35.722 -18.545 1.00 14.42 N ATOM 0 H LYS A 21 8.558 30.305 -21.837 1.00 33.14 H new ATOM 0 HA LYS A 21 10.869 32.013 -21.078 1.00 2.21 H new ATOM 0 HB2 LYS A 21 9.500 29.920 -19.400 1.00 1.12 H new ATOM 0 HB3 LYS A 21 11.035 30.676 -19.019 1.00 1.12 H new ATOM 0 HG2 LYS A 21 8.368 32.111 -19.315 1.00 14.22 H new ATOM 0 HG3 LYS A 21 9.179 31.749 -17.804 1.00 14.22 H new ATOM 0 HD2 LYS A 21 11.071 33.189 -18.418 1.00 23.32 H new ATOM 0 HD3 LYS A 21 10.392 33.464 -20.009 1.00 23.32 H new ATOM 0 HE2 LYS A 21 8.404 34.537 -18.967 1.00 72.34 H new ATOM 0 HE3 LYS A 21 9.101 34.276 -17.380 1.00 72.34 H new ATOM 0 HZ1 LYS A 21 9.515 36.500 -18.164 1.00 14.42 H new ATOM 0 HZ2 LYS A 21 10.979 35.654 -18.009 1.00 14.42 H new ATOM 0 HZ3 LYS A 21 10.304 35.907 -19.546 1.00 14.42 H new ATOM 306 N PRO A 22 12.200 30.371 -22.439 1.00 42.21 N ATOM 307 CA PRO A 22 13.089 29.456 -23.130 1.00 45.53 C ATOM 308 C PRO A 22 14.230 29.016 -22.239 1.00 20.13 C ATOM 309 O PRO A 22 15.079 29.829 -21.840 1.00 41.33 O ATOM 310 CB PRO A 22 13.622 30.292 -24.315 1.00 41.21 C ATOM 311 CG PRO A 22 13.021 31.657 -24.159 1.00 42.24 C ATOM 312 CD PRO A 22 12.549 31.752 -22.745 1.00 4.32 C ATOM 0 HA PRO A 22 12.584 28.541 -23.440 1.00 45.53 H new ATOM 0 HB2 PRO A 22 14.711 30.341 -24.300 1.00 41.21 H new ATOM 0 HB3 PRO A 22 13.336 29.846 -25.268 1.00 41.21 H new ATOM 0 HG2 PRO A 22 13.756 32.432 -24.376 1.00 42.24 H new ATOM 0 HG3 PRO A 22 12.194 31.799 -24.855 1.00 42.24 H new ATOM 0 HD2 PRO A 22 13.326 32.131 -22.082 1.00 4.32 H new ATOM 0 HD3 PRO A 22 11.693 32.419 -22.646 1.00 4.32 H new ATOM 320 N GLU A 23 14.262 27.757 -21.933 1.00 15.14 N ATOM 321 CA GLU A 23 15.231 27.197 -21.044 1.00 52.32 C ATOM 322 C GLU A 23 15.693 25.878 -21.600 1.00 53.01 C ATOM 323 O GLU A 23 15.108 25.349 -22.569 1.00 53.14 O ATOM 324 CB GLU A 23 14.569 26.880 -19.710 1.00 0.24 C ATOM 325 CG GLU A 23 14.046 28.047 -18.916 1.00 21.40 C ATOM 326 CD GLU A 23 13.367 27.554 -17.682 1.00 24.41 C ATOM 327 OE1 GLU A 23 14.051 27.020 -16.793 1.00 12.55 O ATOM 328 OE2 GLU A 23 12.128 27.627 -17.599 1.00 43.12 O ATOM 0 H GLU A 23 13.600 27.075 -22.303 1.00 15.14 H new ATOM 0 HA GLU A 23 16.052 27.904 -20.926 1.00 52.32 H new ATOM 0 HB2 GLU A 23 13.740 26.197 -19.896 1.00 0.24 H new ATOM 0 HB3 GLU A 23 15.290 26.345 -19.092 1.00 0.24 H new ATOM 0 HG2 GLU A 23 14.866 28.714 -18.649 1.00 21.40 H new ATOM 0 HG3 GLU A 23 13.347 28.626 -19.520 1.00 21.40 H new ATOM 335 N GLN A 24 16.700 25.341 -20.969 1.00 10.44 N ATOM 336 CA GLN A 24 17.065 23.988 -21.166 1.00 34.34 C ATOM 337 C GLN A 24 16.164 23.226 -20.262 1.00 35.34 C ATOM 338 O GLN A 24 15.951 23.651 -19.115 1.00 32.34 O ATOM 339 CB GLN A 24 18.511 23.680 -20.837 1.00 4.13 C ATOM 340 CG GLN A 24 19.517 24.362 -21.716 1.00 41.21 C ATOM 341 CD GLN A 24 19.823 25.787 -21.292 1.00 75.54 C ATOM 342 OE1 GLN A 24 19.202 26.746 -21.762 1.00 64.51 O ATOM 343 NE2 GLN A 24 20.749 25.935 -20.390 1.00 33.53 N ATOM 0 H GLN A 24 17.287 25.843 -20.302 1.00 10.44 H new ATOM 0 HA GLN A 24 16.966 23.726 -22.219 1.00 34.34 H new ATOM 0 HB2 GLN A 24 18.702 23.965 -19.802 1.00 4.13 H new ATOM 0 HB3 GLN A 24 18.662 22.603 -20.904 1.00 4.13 H new ATOM 0 HG2 GLN A 24 20.441 23.784 -21.713 1.00 41.21 H new ATOM 0 HG3 GLN A 24 19.147 24.368 -22.741 1.00 41.21 H new ATOM 0 HE21 GLN A 24 21.241 25.119 -20.025 1.00 33.53 H new ATOM 0 HE22 GLN A 24 20.983 26.867 -20.048 1.00 33.53 H new ATOM 352 N ARG A 25 15.664 22.135 -20.704 1.00 61.42 N ATOM 353 CA ARG A 25 14.895 21.222 -19.882 1.00 52.21 C ATOM 354 C ARG A 25 15.302 19.876 -20.290 1.00 71.21 C ATOM 355 O ARG A 25 16.119 19.771 -21.165 1.00 4.30 O ATOM 356 CB ARG A 25 13.430 21.369 -20.088 1.00 64.34 C ATOM 357 CG ARG A 25 12.878 22.732 -19.674 1.00 31.21 C ATOM 358 CD ARG A 25 13.125 23.022 -18.220 1.00 2.04 C ATOM 359 NE ARG A 25 12.481 24.266 -17.756 1.00 41.42 N ATOM 360 CZ ARG A 25 11.518 24.309 -16.825 1.00 51.03 C ATOM 361 NH1 ARG A 25 10.819 23.215 -16.550 1.00 32.31 N ATOM 362 NH2 ARG A 25 11.186 25.458 -16.273 1.00 24.32 N ATOM 0 H ARG A 25 15.769 21.825 -21.670 1.00 61.42 H new ATOM 0 HA ARG A 25 15.084 21.426 -18.828 1.00 52.21 H new ATOM 0 HB2 ARG A 25 13.203 21.201 -21.141 1.00 64.34 H new ATOM 0 HB3 ARG A 25 12.914 20.593 -19.523 1.00 64.34 H new ATOM 0 HG2 ARG A 25 13.340 23.510 -20.282 1.00 31.21 H new ATOM 0 HG3 ARG A 25 11.807 22.765 -19.873 1.00 31.21 H new ATOM 0 HD2 ARG A 25 12.759 22.187 -17.623 1.00 2.04 H new ATOM 0 HD3 ARG A 25 14.199 23.091 -18.048 1.00 2.04 H new ATOM 0 HE ARG A 25 12.787 25.147 -18.169 1.00 41.42 H new ATOM 0 HH11 ARG A 25 11.016 22.346 -17.046 1.00 32.31 H new ATOM 0 HH12 ARG A 25 10.085 23.243 -15.842 1.00 32.31 H new ATOM 0 HH21 ARG A 25 11.662 26.315 -16.554 1.00 24.32 H new ATOM 0 HH22 ARG A 25 10.453 25.490 -15.564 1.00 24.32 H new ATOM 376 N ILE A 26 14.730 18.846 -19.728 1.00 31.53 N ATOM 377 CA ILE A 26 15.274 17.538 -19.939 1.00 41.21 C ATOM 378 C ILE A 26 14.140 16.481 -20.076 1.00 63.40 C ATOM 379 O ILE A 26 13.181 16.555 -19.363 1.00 74.34 O ATOM 380 CB ILE A 26 16.103 17.173 -18.658 1.00 24.21 C ATOM 381 CG1 ILE A 26 17.120 18.262 -18.309 1.00 13.23 C ATOM 382 CG2 ILE A 26 16.862 15.901 -18.884 1.00 1.41 C ATOM 383 CD1 ILE A 26 17.571 18.215 -16.881 1.00 50.44 C ATOM 0 H ILE A 26 13.903 18.887 -19.132 1.00 31.53 H new ATOM 0 HA ILE A 26 15.876 17.537 -20.848 1.00 41.21 H new ATOM 0 HB ILE A 26 15.391 17.067 -17.839 1.00 24.21 H new ATOM 0 HG12 ILE A 26 17.988 18.161 -18.961 1.00 13.23 H new ATOM 0 HG13 ILE A 26 16.681 19.239 -18.512 1.00 13.23 H new ATOM 0 HG21 ILE A 26 17.435 15.655 -17.990 1.00 1.41 H new ATOM 0 HG22 ILE A 26 16.163 15.093 -19.100 1.00 1.41 H new ATOM 0 HG23 ILE A 26 17.542 16.028 -19.727 1.00 1.41 H new ATOM 0 HD11 ILE A 26 18.291 19.013 -16.700 1.00 50.44 H new ATOM 0 HD12 ILE A 26 16.712 18.346 -16.224 1.00 50.44 H new ATOM 0 HD13 ILE A 26 18.039 17.252 -16.679 1.00 50.44 H new ATOM 395 N TYR A 27 14.244 15.563 -21.013 1.00 32.22 N ATOM 396 CA TYR A 27 13.152 14.625 -21.332 1.00 74.51 C ATOM 397 C TYR A 27 13.844 13.320 -21.697 1.00 12.12 C ATOM 398 O TYR A 27 15.043 13.315 -22.020 1.00 10.00 O ATOM 399 CB TYR A 27 12.318 15.127 -22.566 1.00 12.24 C ATOM 400 CG TYR A 27 13.043 15.098 -23.886 1.00 21.44 C ATOM 401 CD1 TYR A 27 13.789 16.162 -24.301 1.00 43.51 C ATOM 402 CD2 TYR A 27 12.965 13.979 -24.712 1.00 25.42 C ATOM 403 CE1 TYR A 27 14.464 16.109 -25.522 1.00 51.10 C ATOM 404 CE2 TYR A 27 13.620 13.926 -25.911 1.00 23.04 C ATOM 405 CZ TYR A 27 14.376 14.987 -26.308 1.00 51.21 C ATOM 406 OH TYR A 27 15.010 14.957 -27.533 1.00 52.42 O ATOM 0 H TYR A 27 15.080 15.434 -21.583 1.00 32.22 H new ATOM 0 HA TYR A 27 12.463 14.524 -20.494 1.00 74.51 H new ATOM 0 HB2 TYR A 27 11.420 14.515 -22.650 1.00 12.24 H new ATOM 0 HB3 TYR A 27 11.991 16.149 -22.372 1.00 12.24 H new ATOM 0 HD1 TYR A 27 13.858 17.046 -23.685 1.00 43.51 H new ATOM 0 HD2 TYR A 27 12.373 13.132 -24.398 1.00 25.42 H new ATOM 0 HE1 TYR A 27 15.056 16.951 -25.848 1.00 51.10 H new ATOM 0 HE2 TYR A 27 13.539 13.050 -26.538 1.00 23.04 H new ATOM 0 HH TYR A 27 14.850 14.091 -27.963 1.00 52.42 H new ATOM 416 N TYR A 28 13.129 12.219 -21.627 1.00 32.10 N ATOM 417 CA TYR A 28 13.644 10.923 -21.946 1.00 41.54 C ATOM 418 C TYR A 28 13.554 10.647 -23.456 1.00 50.04 C ATOM 419 O TYR A 28 12.526 10.833 -24.108 1.00 31.15 O ATOM 420 CB TYR A 28 12.955 9.843 -21.094 1.00 21.42 C ATOM 421 CG TYR A 28 13.232 8.408 -21.452 1.00 23.43 C ATOM 422 CD1 TYR A 28 14.242 7.689 -20.892 1.00 30.22 C ATOM 423 CD2 TYR A 28 12.390 7.762 -22.331 1.00 75.44 C ATOM 424 CE1 TYR A 28 14.397 6.359 -21.196 1.00 41.33 C ATOM 425 CE2 TYR A 28 12.543 6.456 -22.647 1.00 35.51 C ATOM 426 CZ TYR A 28 13.538 5.756 -22.080 1.00 62.34 C ATOM 427 OH TYR A 28 13.667 4.434 -22.367 1.00 54.23 O ATOM 0 H TYR A 28 12.151 12.209 -21.339 1.00 32.10 H new ATOM 0 HA TYR A 28 14.704 10.893 -21.695 1.00 41.54 H new ATOM 0 HB2 TYR A 28 13.247 9.995 -20.055 1.00 21.42 H new ATOM 0 HB3 TYR A 28 11.878 10.004 -21.150 1.00 21.42 H new ATOM 0 HD1 TYR A 28 14.925 8.167 -20.205 1.00 30.22 H new ATOM 0 HD2 TYR A 28 11.581 8.317 -22.783 1.00 75.44 H new ATOM 0 HE1 TYR A 28 15.193 5.789 -20.740 1.00 41.33 H new ATOM 0 HE2 TYR A 28 11.872 5.982 -23.348 1.00 35.51 H new ATOM 0 HH TYR A 28 12.854 4.115 -22.811 1.00 54.23 H new ATOM 437 N ASN A 29 14.667 10.250 -23.944 1.00 33.41 N ATOM 438 CA ASN A 29 14.738 9.899 -25.359 1.00 33.21 C ATOM 439 C ASN A 29 14.011 8.619 -25.549 1.00 73.33 C ATOM 440 O ASN A 29 14.218 7.646 -24.864 1.00 34.14 O ATOM 441 CB ASN A 29 16.151 9.694 -25.806 1.00 32.03 C ATOM 442 CG ASN A 29 16.976 10.899 -25.627 1.00 2.25 C ATOM 443 OD1 ASN A 29 17.493 11.114 -24.573 1.00 31.04 O ATOM 444 ND2 ASN A 29 17.136 11.681 -26.665 1.00 3.53 N ATOM 0 H ASN A 29 15.537 10.152 -23.421 1.00 33.41 H new ATOM 0 HA ASN A 29 14.303 10.712 -25.940 1.00 33.21 H new ATOM 0 HB2 ASN A 29 16.591 8.869 -25.245 1.00 32.03 H new ATOM 0 HB3 ASN A 29 16.158 9.405 -26.857 1.00 32.03 H new ATOM 0 HD21 ASN A 29 17.722 12.513 -26.591 1.00 3.53 H new ATOM 0 HD22 ASN A 29 16.675 11.458 -27.547 1.00 3.53 H new ATOM 451 N SER A 30 13.270 8.627 -26.635 1.00 35.20 N ATOM 452 CA SER A 30 12.262 7.650 -26.975 1.00 23.11 C ATOM 453 C SER A 30 13.036 6.468 -27.617 1.00 34.11 C ATOM 454 O SER A 30 13.047 5.349 -27.119 1.00 31.54 O ATOM 455 CB SER A 30 11.331 8.296 -28.020 1.00 74.14 C ATOM 456 OG SER A 30 10.813 9.540 -27.546 1.00 70.14 O ATOM 0 H SER A 30 13.361 9.356 -27.343 1.00 35.20 H new ATOM 0 HA SER A 30 11.671 7.317 -26.122 1.00 23.11 H new ATOM 0 HB2 SER A 30 11.878 8.456 -28.949 1.00 74.14 H new ATOM 0 HB3 SER A 30 10.508 7.618 -28.247 1.00 74.14 H new ATOM 0 HG SER A 30 10.011 9.376 -27.007 1.00 70.14 H new ATOM 462 N ALA A 31 13.658 6.783 -28.758 1.00 13.42 N ATOM 463 CA ALA A 31 14.566 5.843 -29.450 1.00 32.20 C ATOM 464 C ALA A 31 15.754 5.413 -28.548 1.00 40.43 C ATOM 465 O ALA A 31 15.997 4.238 -28.253 1.00 4.22 O ATOM 466 CB ALA A 31 15.068 6.447 -30.744 1.00 71.24 C ATOM 0 H ALA A 31 13.553 7.682 -29.228 1.00 13.42 H new ATOM 0 HA ALA A 31 13.993 4.945 -29.680 1.00 32.20 H new ATOM 0 HB1 ALA A 31 15.735 5.742 -31.240 1.00 71.24 H new ATOM 0 HB2 ALA A 31 14.222 6.666 -31.395 1.00 71.24 H new ATOM 0 HB3 ALA A 31 15.609 7.369 -30.530 1.00 71.24 H new ATOM 472 N LYS A 32 16.449 6.471 -28.147 1.00 52.31 N ATOM 473 CA LYS A 32 17.825 6.367 -27.591 1.00 25.15 C ATOM 474 C LYS A 32 17.912 5.890 -26.150 1.00 33.33 C ATOM 475 O LYS A 32 18.935 5.388 -25.675 1.00 51.10 O ATOM 476 CB LYS A 32 18.527 7.710 -27.627 1.00 2.11 C ATOM 477 CG LYS A 32 18.562 8.379 -28.958 1.00 74.31 C ATOM 478 CD LYS A 32 19.521 9.548 -28.917 1.00 72.23 C ATOM 479 CE LYS A 32 19.628 10.257 -30.251 1.00 54.02 C ATOM 480 NZ LYS A 32 20.622 11.348 -30.199 1.00 41.44 N ATOM 0 H LYS A 32 16.093 7.426 -28.191 1.00 52.31 H new ATOM 0 HA LYS A 32 18.295 5.620 -28.231 1.00 25.15 H new ATOM 0 HB2 LYS A 32 18.036 8.376 -26.918 1.00 2.11 H new ATOM 0 HB3 LYS A 32 19.552 7.574 -27.281 1.00 2.11 H new ATOM 0 HG2 LYS A 32 18.872 7.669 -29.724 1.00 74.31 H new ATOM 0 HG3 LYS A 32 17.564 8.724 -29.228 1.00 74.31 H new ATOM 0 HD2 LYS A 32 19.192 10.257 -28.158 1.00 72.23 H new ATOM 0 HD3 LYS A 32 20.507 9.194 -28.617 1.00 72.23 H new ATOM 0 HE2 LYS A 32 19.909 9.542 -31.024 1.00 54.02 H new ATOM 0 HE3 LYS A 32 18.655 10.661 -30.530 1.00 54.02 H new ATOM 0 HZ1 LYS A 32 20.673 11.815 -31.127 1.00 41.44 H new ATOM 0 HZ2 LYS A 32 20.339 12.041 -29.477 1.00 41.44 H new ATOM 0 HZ3 LYS A 32 21.555 10.957 -29.956 1.00 41.44 H new ATOM 494 N LYS A 33 16.729 5.976 -25.564 1.00 32.21 N ATOM 495 CA LYS A 33 16.494 5.557 -24.181 1.00 32.34 C ATOM 496 C LYS A 33 17.504 6.186 -23.223 1.00 70.14 C ATOM 497 O LYS A 33 18.135 5.519 -22.417 1.00 73.00 O ATOM 498 CB LYS A 33 16.431 4.035 -24.064 1.00 63.43 C ATOM 499 CG LYS A 33 15.312 3.495 -24.911 1.00 53.03 C ATOM 500 CD LYS A 33 14.695 2.256 -24.354 1.00 10.21 C ATOM 501 CE LYS A 33 13.316 2.164 -24.933 1.00 4.40 C ATOM 502 NZ LYS A 33 12.523 1.045 -24.400 1.00 23.03 N ATOM 0 H LYS A 33 15.898 6.339 -26.031 1.00 32.21 H new ATOM 0 HA LYS A 33 15.516 5.931 -23.879 1.00 32.34 H new ATOM 0 HB2 LYS A 33 17.379 3.599 -24.380 1.00 63.43 H new ATOM 0 HB3 LYS A 33 16.280 3.749 -23.023 1.00 63.43 H new ATOM 0 HG2 LYS A 33 14.543 4.260 -25.015 1.00 53.03 H new ATOM 0 HG3 LYS A 33 15.691 3.286 -25.911 1.00 53.03 H new ATOM 0 HD2 LYS A 33 15.285 1.378 -24.617 1.00 10.21 H new ATOM 0 HD3 LYS A 33 14.656 2.299 -23.266 1.00 10.21 H new ATOM 0 HE2 LYS A 33 12.787 3.097 -24.739 1.00 4.40 H new ATOM 0 HE3 LYS A 33 13.392 2.060 -26.015 1.00 4.40 H new ATOM 0 HZ1 LYS A 33 11.583 1.043 -24.844 1.00 23.03 H new ATOM 0 HZ2 LYS A 33 13.006 0.148 -24.608 1.00 23.03 H new ATOM 0 HZ3 LYS A 33 12.419 1.152 -23.371 1.00 23.03 H new ATOM 516 N GLN A 34 17.632 7.476 -23.391 1.00 74.31 N ATOM 517 CA GLN A 34 18.537 8.355 -22.654 1.00 61.03 C ATOM 518 C GLN A 34 17.666 9.444 -22.029 1.00 53.12 C ATOM 519 O GLN A 34 16.451 9.373 -22.094 1.00 45.44 O ATOM 520 CB GLN A 34 19.549 9.007 -23.616 1.00 2.10 C ATOM 521 CG GLN A 34 20.475 8.055 -24.343 1.00 3.15 C ATOM 522 CD GLN A 34 21.401 8.781 -25.308 1.00 75.01 C ATOM 523 OE1 GLN A 34 21.058 9.828 -25.863 1.00 3.41 O ATOM 524 NE2 GLN A 34 22.579 8.264 -25.492 1.00 24.11 N ATOM 0 H GLN A 34 17.080 7.982 -24.084 1.00 74.31 H new ATOM 0 HA GLN A 34 19.094 7.797 -21.902 1.00 61.03 H new ATOM 0 HB2 GLN A 34 18.997 9.584 -24.358 1.00 2.10 H new ATOM 0 HB3 GLN A 34 20.156 9.713 -23.050 1.00 2.10 H new ATOM 0 HG2 GLN A 34 21.071 7.503 -23.616 1.00 3.15 H new ATOM 0 HG3 GLN A 34 19.883 7.322 -24.892 1.00 3.15 H new ATOM 0 HE21 GLN A 34 22.835 7.397 -25.020 1.00 24.11 H new ATOM 0 HE22 GLN A 34 23.248 8.725 -26.109 1.00 24.11 H new ATOM 533 N CYS A 35 18.274 10.469 -21.493 1.00 51.32 N ATOM 534 CA CYS A 35 17.566 11.590 -20.898 1.00 54.13 C ATOM 535 C CYS A 35 18.329 12.764 -21.373 1.00 4.43 C ATOM 536 O CYS A 35 19.474 12.962 -20.914 1.00 74.00 O ATOM 537 CB CYS A 35 17.529 11.566 -19.353 1.00 41.32 C ATOM 538 SG CYS A 35 16.496 12.896 -18.615 1.00 22.21 S ATOM 0 H CYS A 35 19.289 10.557 -21.453 1.00 51.32 H new ATOM 0 HA CYS A 35 16.515 11.582 -21.187 1.00 54.13 H new ATOM 0 HB2 CYS A 35 17.150 10.599 -19.023 1.00 41.32 H new ATOM 0 HB3 CYS A 35 18.547 11.656 -18.973 1.00 41.32 H new ATOM 543 N VAL A 36 17.825 13.557 -22.254 1.00 24.25 N ATOM 544 CA VAL A 36 18.576 14.607 -22.830 1.00 63.13 C ATOM 545 C VAL A 36 17.790 15.855 -22.640 1.00 22.14 C ATOM 546 O VAL A 36 16.626 15.816 -22.270 1.00 41.42 O ATOM 547 CB VAL A 36 18.851 14.442 -24.362 1.00 25.22 C ATOM 548 CG1 VAL A 36 19.551 13.161 -24.693 1.00 4.03 C ATOM 549 CG2 VAL A 36 17.582 14.554 -25.169 1.00 25.55 C ATOM 0 H VAL A 36 16.866 13.490 -22.596 1.00 24.25 H new ATOM 0 HA VAL A 36 19.550 14.617 -22.341 1.00 63.13 H new ATOM 0 HB VAL A 36 19.517 15.262 -24.632 1.00 25.22 H new ATOM 0 HG11 VAL A 36 19.714 13.103 -25.769 1.00 4.03 H new ATOM 0 HG12 VAL A 36 20.511 13.127 -24.178 1.00 4.03 H new ATOM 0 HG13 VAL A 36 18.938 12.318 -24.373 1.00 4.03 H new ATOM 0 HG21 VAL A 36 17.812 14.434 -26.228 1.00 25.55 H new ATOM 0 HG22 VAL A 36 16.884 13.776 -24.859 1.00 25.55 H new ATOM 0 HG23 VAL A 36 17.131 15.533 -25.004 1.00 25.55 H new ATOM 559 N THR A 37 18.420 16.934 -22.865 1.00 71.21 N ATOM 560 CA THR A 37 17.791 18.180 -22.797 1.00 24.33 C ATOM 561 C THR A 37 17.068 18.558 -24.074 1.00 33.44 C ATOM 562 O THR A 37 17.354 18.040 -25.167 1.00 32.02 O ATOM 563 CB THR A 37 18.816 19.277 -22.446 1.00 40.13 C ATOM 564 OG1 THR A 37 19.919 19.229 -23.367 1.00 63.10 O ATOM 565 CG2 THR A 37 19.302 19.133 -21.019 1.00 71.33 C ATOM 0 H THR A 37 19.410 16.975 -23.107 1.00 71.21 H new ATOM 0 HA THR A 37 17.038 18.098 -22.013 1.00 24.33 H new ATOM 0 HB THR A 37 18.327 20.247 -22.532 1.00 40.13 H new ATOM 0 HG1 THR A 37 20.566 19.929 -23.140 1.00 63.10 H new ATOM 0 HG21 THR A 37 20.024 19.920 -20.799 1.00 71.33 H new ATOM 0 HG22 THR A 37 18.456 19.216 -20.336 1.00 71.33 H new ATOM 0 HG23 THR A 37 19.776 18.160 -20.893 1.00 71.33 H new ATOM 573 N PHE A 38 16.099 19.421 -23.900 1.00 61.12 N ATOM 574 CA PHE A 38 15.363 19.944 -24.959 1.00 2.51 C ATOM 575 C PHE A 38 15.161 21.370 -24.693 1.00 24.10 C ATOM 576 O PHE A 38 15.314 21.850 -23.548 1.00 53.12 O ATOM 577 CB PHE A 38 14.015 19.335 -25.146 1.00 44.14 C ATOM 578 CG PHE A 38 12.958 19.553 -24.130 1.00 34.23 C ATOM 579 CD1 PHE A 38 12.932 18.916 -22.915 1.00 63.31 C ATOM 580 CD2 PHE A 38 11.930 20.390 -24.472 1.00 60.41 C ATOM 581 CE1 PHE A 38 11.884 19.125 -22.057 1.00 54.15 C ATOM 582 CE2 PHE A 38 10.900 20.620 -23.649 1.00 3.54 C ATOM 583 CZ PHE A 38 10.865 19.982 -22.422 1.00 44.02 C ATOM 0 H PHE A 38 15.814 19.771 -22.985 1.00 61.12 H new ATOM 0 HA PHE A 38 15.932 19.734 -25.865 1.00 2.51 H new ATOM 0 HB2 PHE A 38 13.627 19.692 -26.100 1.00 44.14 H new ATOM 0 HB3 PHE A 38 14.156 18.258 -25.242 1.00 44.14 H new ATOM 0 HD1 PHE A 38 13.736 18.251 -22.635 1.00 63.31 H new ATOM 0 HD2 PHE A 38 11.951 20.879 -25.435 1.00 60.41 H new ATOM 0 HE1 PHE A 38 11.855 18.623 -21.101 1.00 54.15 H new ATOM 0 HE2 PHE A 38 10.107 21.294 -23.939 1.00 3.54 H new ATOM 0 HZ PHE A 38 10.039 20.155 -21.748 1.00 44.02 H new ATOM 593 N THR A 39 14.854 22.030 -25.710 1.00 13.51 N ATOM 594 CA THR A 39 14.574 23.402 -25.696 1.00 0.11 C ATOM 595 C THR A 39 13.123 23.570 -25.248 1.00 42.13 C ATOM 596 O THR A 39 12.202 23.153 -25.929 1.00 63.22 O ATOM 597 CB THR A 39 14.690 23.892 -27.126 1.00 71.14 C ATOM 598 OG1 THR A 39 15.993 23.508 -27.644 1.00 42.44 O ATOM 599 CG2 THR A 39 14.542 25.400 -27.205 1.00 5.32 C ATOM 0 H THR A 39 14.784 21.613 -26.638 1.00 13.51 H new ATOM 0 HA THR A 39 15.247 23.949 -25.036 1.00 0.11 H new ATOM 0 HB THR A 39 13.892 23.443 -27.717 1.00 71.14 H new ATOM 0 HG1 THR A 39 16.081 23.817 -28.570 1.00 42.44 H new ATOM 0 HG21 THR A 39 14.630 25.720 -28.243 1.00 5.32 H new ATOM 0 HG22 THR A 39 13.566 25.691 -26.817 1.00 5.32 H new ATOM 0 HG23 THR A 39 15.324 25.874 -26.612 1.00 5.32 H new ATOM 607 N TYR A 40 12.946 24.152 -24.106 1.00 65.21 N ATOM 608 CA TYR A 40 11.603 24.317 -23.619 1.00 44.50 C ATOM 609 C TYR A 40 11.248 25.745 -23.608 1.00 20.40 C ATOM 610 O TYR A 40 11.855 26.533 -22.904 1.00 32.03 O ATOM 611 CB TYR A 40 11.448 23.695 -22.221 1.00 40.41 C ATOM 612 CG TYR A 40 10.045 23.685 -21.514 1.00 45.44 C ATOM 613 CD1 TYR A 40 9.531 24.824 -20.902 1.00 65.32 C ATOM 614 CD2 TYR A 40 9.282 22.497 -21.392 1.00 24.14 C ATOM 615 CE1 TYR A 40 8.318 24.787 -20.215 1.00 23.33 C ATOM 616 CE2 TYR A 40 8.082 22.473 -20.724 1.00 61.30 C ATOM 617 CZ TYR A 40 7.602 23.606 -20.139 1.00 55.43 C ATOM 618 OH TYR A 40 6.403 23.550 -19.449 1.00 44.24 O ATOM 0 H TYR A 40 13.686 24.514 -23.504 1.00 65.21 H new ATOM 0 HA TYR A 40 10.918 23.795 -24.287 1.00 44.50 H new ATOM 0 HB2 TYR A 40 11.784 22.660 -22.288 1.00 40.41 H new ATOM 0 HB3 TYR A 40 12.141 24.213 -21.558 1.00 40.41 H new ATOM 0 HD1 TYR A 40 10.080 25.752 -20.960 1.00 65.32 H new ATOM 0 HD2 TYR A 40 9.654 21.586 -21.836 1.00 24.14 H new ATOM 0 HE1 TYR A 40 7.938 25.680 -19.742 1.00 23.33 H new ATOM 0 HE2 TYR A 40 7.518 21.554 -20.662 1.00 61.30 H new ATOM 0 HH TYR A 40 6.038 22.642 -19.501 1.00 44.24 H new ATOM 628 N ASN A 41 10.348 26.089 -24.465 1.00 54.11 N ATOM 629 CA ASN A 41 9.979 27.453 -24.615 1.00 41.51 C ATOM 630 C ASN A 41 8.792 27.737 -23.767 1.00 52.14 C ATOM 631 O ASN A 41 8.574 28.870 -23.369 1.00 1.12 O ATOM 632 CB ASN A 41 9.755 27.844 -26.069 1.00 75.42 C ATOM 633 CG ASN A 41 10.982 27.779 -26.966 1.00 75.14 C ATOM 634 OD1 ASN A 41 12.150 27.992 -26.431 1.00 43.15 O flip ATOM 635 ND2 ASN A 41 10.858 27.535 -28.157 1.00 30.10 N flip ATOM 0 H ASN A 41 9.852 25.439 -25.075 1.00 54.11 H new ATOM 0 HA ASN A 41 10.810 28.073 -24.277 1.00 41.51 H new ATOM 0 HB2 ASN A 41 8.987 27.193 -26.487 1.00 75.42 H new ATOM 0 HB3 ASN A 41 9.361 28.860 -26.096 1.00 75.42 H new ATOM 0 HD21 ASN A 41 9.931 27.372 -28.550 1.00 30.10 H new ATOM 0 HD22 ASN A 41 11.681 27.494 -28.758 1.00 30.10 H new ATOM 642 N GLY A 42 7.980 26.722 -23.541 1.00 33.21 N ATOM 643 CA GLY A 42 7.013 26.847 -22.515 1.00 12.21 C ATOM 644 C GLY A 42 5.569 26.950 -22.897 1.00 71.31 C ATOM 645 O GLY A 42 4.782 27.342 -22.048 1.00 31.24 O ATOM 0 H GLY A 42 7.982 25.836 -24.046 1.00 33.21 H new ATOM 0 HA2 GLY A 42 7.119 25.987 -21.854 1.00 12.21 H new ATOM 0 HA3 GLY A 42 7.264 27.732 -21.930 1.00 12.21 H new ATOM 649 N LYS A 43 5.116 26.642 -24.112 1.00 11.44 N ATOM 650 CA LYS A 43 3.733 26.795 -24.493 1.00 20.30 C ATOM 651 C LYS A 43 3.289 25.564 -25.299 1.00 33.20 C ATOM 652 O LYS A 43 3.387 24.424 -24.853 1.00 23.15 O ATOM 653 CB LYS A 43 3.598 28.064 -25.391 1.00 24.31 C ATOM 654 CG LYS A 43 4.164 29.340 -24.833 1.00 45.14 C ATOM 655 CD LYS A 43 3.726 30.543 -25.645 1.00 62.10 C ATOM 656 CE LYS A 43 2.264 30.879 -25.417 1.00 34.22 C ATOM 657 NZ LYS A 43 1.834 32.053 -26.203 1.00 13.13 N ATOM 0 H LYS A 43 5.711 26.278 -24.856 1.00 11.44 H new ATOM 0 HA LYS A 43 3.112 26.895 -23.603 1.00 20.30 H new ATOM 0 HB2 LYS A 43 4.086 27.862 -26.344 1.00 24.31 H new ATOM 0 HB3 LYS A 43 2.540 28.223 -25.602 1.00 24.31 H new ATOM 0 HG2 LYS A 43 3.842 29.461 -23.799 1.00 45.14 H new ATOM 0 HG3 LYS A 43 5.252 29.283 -24.823 1.00 45.14 H new ATOM 0 HD2 LYS A 43 4.341 31.403 -25.380 1.00 62.10 H new ATOM 0 HD3 LYS A 43 3.892 30.346 -26.704 1.00 62.10 H new ATOM 0 HE2 LYS A 43 1.649 30.020 -25.684 1.00 34.22 H new ATOM 0 HE3 LYS A 43 2.098 31.072 -24.357 1.00 34.22 H new ATOM 0 HZ1 LYS A 43 0.829 32.246 -26.017 1.00 13.13 H new ATOM 0 HZ2 LYS A 43 2.402 32.880 -25.930 1.00 13.13 H new ATOM 0 HZ3 LYS A 43 1.967 31.860 -27.216 1.00 13.13 H new ATOM 671 N GLY A 44 2.752 25.924 -26.448 1.00 5.22 N ATOM 672 CA GLY A 44 2.412 25.027 -27.541 1.00 12.10 C ATOM 673 C GLY A 44 2.891 23.583 -27.505 1.00 74.55 C ATOM 674 O GLY A 44 4.089 23.296 -27.604 1.00 42.40 O ATOM 0 H GLY A 44 2.529 26.897 -26.657 1.00 5.22 H new ATOM 0 HA2 GLY A 44 1.325 25.008 -27.621 1.00 12.10 H new ATOM 0 HA3 GLY A 44 2.792 25.474 -28.460 1.00 12.10 H new ATOM 678 N GLY A 45 1.926 22.703 -27.408 1.00 40.41 N ATOM 679 CA GLY A 45 2.188 21.298 -27.540 1.00 4.41 C ATOM 680 C GLY A 45 2.590 20.613 -26.257 1.00 33.15 C ATOM 681 O GLY A 45 2.208 21.030 -25.156 1.00 42.31 O ATOM 0 H GLY A 45 0.949 22.940 -27.237 1.00 40.41 H new ATOM 0 HA2 GLY A 45 1.296 20.810 -27.933 1.00 4.41 H new ATOM 0 HA3 GLY A 45 2.979 21.156 -28.276 1.00 4.41 H new ATOM 685 N ASN A 46 3.327 19.504 -26.454 1.00 71.11 N ATOM 686 CA ASN A 46 3.748 18.719 -25.257 1.00 51.32 C ATOM 687 C ASN A 46 4.681 19.396 -24.281 1.00 43.43 C ATOM 688 O ASN A 46 5.475 20.272 -24.573 1.00 55.24 O ATOM 689 CB ASN A 46 4.412 17.374 -25.639 1.00 21.03 C ATOM 690 CG ASN A 46 3.590 16.480 -26.538 1.00 14.32 C ATOM 691 OD1 ASN A 46 2.732 15.727 -26.085 1.00 40.24 O ATOM 692 ND2 ASN A 46 3.909 16.476 -27.803 1.00 4.52 N ATOM 0 H ASN A 46 3.631 19.142 -27.358 1.00 71.11 H new ATOM 0 HA ASN A 46 2.791 18.587 -24.753 1.00 51.32 H new ATOM 0 HB2 ASN A 46 5.361 17.584 -26.132 1.00 21.03 H new ATOM 0 HB3 ASN A 46 4.642 16.828 -24.724 1.00 21.03 H new ATOM 0 HD21 ASN A 46 3.442 15.836 -28.445 1.00 4.52 H new ATOM 0 HD22 ASN A 46 4.626 17.113 -28.150 1.00 4.52 H new ATOM 699 N GLY A 47 4.442 18.964 -23.081 1.00 24.52 N ATOM 700 CA GLY A 47 5.196 19.457 -21.980 1.00 33.14 C ATOM 701 C GLY A 47 5.906 18.404 -21.229 1.00 23.35 C ATOM 702 O GLY A 47 5.969 18.466 -19.986 1.00 53.51 O ATOM 0 H GLY A 47 3.731 18.272 -22.844 1.00 24.52 H new ATOM 0 HA2 GLY A 47 5.922 20.184 -22.344 1.00 33.14 H new ATOM 0 HA3 GLY A 47 4.528 19.987 -21.301 1.00 33.14 H new ATOM 706 N ASN A 48 6.401 17.402 -21.933 1.00 63.34 N ATOM 707 CA ASN A 48 7.229 16.413 -21.287 1.00 13.35 C ATOM 708 C ASN A 48 8.518 17.067 -20.937 1.00 53.33 C ATOM 709 O ASN A 48 9.334 17.359 -21.799 1.00 52.03 O ATOM 710 CB ASN A 48 7.517 15.196 -22.135 1.00 23.43 C ATOM 711 CG ASN A 48 8.320 14.180 -21.333 1.00 70.24 C ATOM 712 OD1 ASN A 48 8.189 14.105 -20.117 1.00 64.15 O ATOM 713 ND2 ASN A 48 9.142 13.407 -21.984 1.00 41.15 N ATOM 0 H ASN A 48 6.246 17.257 -22.931 1.00 63.34 H new ATOM 0 HA ASN A 48 6.684 16.052 -20.415 1.00 13.35 H new ATOM 0 HB2 ASN A 48 6.582 14.748 -22.472 1.00 23.43 H new ATOM 0 HB3 ASN A 48 8.071 15.487 -23.027 1.00 23.43 H new ATOM 0 HD21 ASN A 48 9.698 12.716 -21.481 1.00 41.15 H new ATOM 0 HD22 ASN A 48 9.229 13.493 -22.997 1.00 41.15 H new ATOM 720 N ASN A 49 8.680 17.305 -19.697 1.00 1.21 N ATOM 721 CA ASN A 49 9.704 18.023 -19.078 1.00 52.54 C ATOM 722 C ASN A 49 10.075 17.344 -17.801 1.00 11.33 C ATOM 723 O ASN A 49 9.199 17.088 -16.964 1.00 70.42 O ATOM 724 CB ASN A 49 9.107 19.387 -18.707 1.00 54.11 C ATOM 725 CG ASN A 49 9.992 20.250 -17.837 1.00 31.51 C ATOM 726 OD1 ASN A 49 10.800 21.000 -18.305 1.00 11.42 O ATOM 727 ND2 ASN A 49 9.795 20.159 -16.531 1.00 41.23 N ATOM 0 H ASN A 49 8.010 16.954 -19.012 1.00 1.21 H new ATOM 0 HA ASN A 49 10.575 18.103 -19.729 1.00 52.54 H new ATOM 0 HB2 ASN A 49 8.881 19.931 -19.624 1.00 54.11 H new ATOM 0 HB3 ASN A 49 8.160 19.226 -18.191 1.00 54.11 H new ATOM 0 HD21 ASN A 49 10.339 20.738 -15.892 1.00 41.23 H new ATOM 0 HD22 ASN A 49 9.099 19.510 -16.164 1.00 41.23 H new ATOM 734 N PHE A 50 11.313 17.045 -17.615 1.00 64.31 N ATOM 735 CA PHE A 50 11.799 16.677 -16.320 1.00 74.53 C ATOM 736 C PHE A 50 12.837 17.740 -16.046 1.00 51.13 C ATOM 737 O PHE A 50 13.723 17.943 -16.856 1.00 34.04 O ATOM 738 CB PHE A 50 12.372 15.183 -16.266 1.00 24.22 C ATOM 739 CG PHE A 50 11.368 14.176 -16.739 1.00 61.33 C ATOM 740 CD1 PHE A 50 10.299 13.816 -15.935 1.00 43.33 C ATOM 741 CD2 PHE A 50 11.480 13.602 -17.996 1.00 63.40 C ATOM 742 CE1 PHE A 50 9.359 12.907 -16.376 1.00 41.12 C ATOM 743 CE2 PHE A 50 10.548 12.690 -18.440 1.00 25.14 C ATOM 744 CZ PHE A 50 9.483 12.344 -17.630 1.00 10.31 C ATOM 0 H PHE A 50 12.020 17.047 -18.350 1.00 64.31 H new ATOM 0 HA PHE A 50 11.020 16.647 -15.558 1.00 74.53 H new ATOM 0 HB2 PHE A 50 13.269 15.117 -16.882 1.00 24.22 H new ATOM 0 HB3 PHE A 50 12.669 14.946 -15.244 1.00 24.22 H new ATOM 0 HD1 PHE A 50 10.200 14.252 -14.952 1.00 43.33 H new ATOM 0 HD2 PHE A 50 12.308 13.873 -18.635 1.00 63.40 H new ATOM 0 HE1 PHE A 50 8.528 12.637 -15.741 1.00 41.12 H new ATOM 0 HE2 PHE A 50 10.649 12.246 -19.419 1.00 25.14 H new ATOM 0 HZ PHE A 50 8.748 11.633 -17.978 1.00 10.31 H new ATOM 754 N SER A 51 12.724 18.464 -14.966 1.00 5.14 N ATOM 755 CA SER A 51 13.551 19.624 -14.667 1.00 33.44 C ATOM 756 C SER A 51 14.599 19.253 -13.684 1.00 10.51 C ATOM 757 O SER A 51 15.399 20.086 -13.265 1.00 1.32 O ATOM 758 CB SER A 51 12.674 20.754 -14.124 1.00 63.14 C ATOM 759 OG SER A 51 11.898 20.332 -12.992 1.00 51.32 O ATOM 0 H SER A 51 12.035 18.265 -14.241 1.00 5.14 H new ATOM 0 HA SER A 51 14.039 19.970 -15.578 1.00 33.44 H new ATOM 0 HB2 SER A 51 13.303 21.597 -13.839 1.00 63.14 H new ATOM 0 HB3 SER A 51 12.007 21.106 -14.911 1.00 63.14 H new ATOM 0 HG SER A 51 11.352 21.081 -12.672 1.00 51.32 H new ATOM 765 N ARG A 52 14.639 18.032 -13.339 1.00 71.21 N ATOM 766 CA ARG A 52 15.596 17.535 -12.447 1.00 61.30 C ATOM 767 C ARG A 52 16.055 16.290 -13.088 1.00 55.22 C ATOM 768 O ARG A 52 15.229 15.449 -13.474 1.00 42.01 O ATOM 769 CB ARG A 52 14.937 17.197 -11.107 1.00 61.13 C ATOM 770 CG ARG A 52 14.334 18.376 -10.351 1.00 14.41 C ATOM 771 CD ARG A 52 15.366 19.419 -9.972 1.00 43.42 C ATOM 772 NE ARG A 52 14.743 20.519 -9.233 1.00 25.21 N ATOM 773 CZ ARG A 52 15.309 21.191 -8.227 1.00 52.01 C ATOM 774 NH1 ARG A 52 16.588 20.999 -7.939 1.00 34.01 N ATOM 775 NH2 ARG A 52 14.591 22.068 -7.536 1.00 54.33 N ATOM 0 H ARG A 52 13.985 17.328 -13.681 1.00 71.21 H new ATOM 0 HA ARG A 52 16.399 18.245 -12.250 1.00 61.30 H new ATOM 0 HB2 ARG A 52 14.151 16.463 -11.284 1.00 61.13 H new ATOM 0 HB3 ARG A 52 15.680 16.721 -10.467 1.00 61.13 H new ATOM 0 HG2 ARG A 52 13.563 18.841 -10.966 1.00 14.41 H new ATOM 0 HG3 ARG A 52 13.844 18.011 -9.448 1.00 14.41 H new ATOM 0 HD2 ARG A 52 16.146 18.962 -9.364 1.00 43.42 H new ATOM 0 HD3 ARG A 52 15.847 19.805 -10.871 1.00 43.42 H new ATOM 0 HE ARG A 52 13.800 20.794 -9.509 1.00 25.21 H new ATOM 0 HH11 ARG A 52 17.140 20.338 -8.486 1.00 34.01 H new ATOM 0 HH12 ARG A 52 17.020 21.512 -7.171 1.00 34.01 H new ATOM 0 HH21 ARG A 52 13.612 22.226 -7.774 1.00 54.33 H new ATOM 0 HH22 ARG A 52 15.018 22.584 -6.767 1.00 54.33 H new ATOM 789 N THR A 53 17.339 16.189 -13.261 1.00 71.20 N ATOM 790 CA THR A 53 17.953 15.038 -13.851 1.00 43.35 C ATOM 791 C THR A 53 17.612 13.804 -13.010 1.00 50.05 C ATOM 792 O THR A 53 17.348 12.738 -13.539 1.00 64.14 O ATOM 793 CB THR A 53 19.478 15.247 -13.930 1.00 54.31 C ATOM 794 OG1 THR A 53 19.736 16.488 -14.628 1.00 50.21 O ATOM 795 CG2 THR A 53 20.149 14.104 -14.682 1.00 51.14 C ATOM 0 H THR A 53 18.000 16.917 -12.991 1.00 71.20 H new ATOM 0 HA THR A 53 17.577 14.889 -14.863 1.00 43.35 H new ATOM 0 HB THR A 53 19.884 15.278 -12.919 1.00 54.31 H new ATOM 0 HG1 THR A 53 20.703 16.636 -14.685 1.00 50.21 H new ATOM 0 HG21 THR A 53 21.224 14.277 -14.723 1.00 51.14 H new ATOM 0 HG22 THR A 53 19.952 13.164 -14.166 1.00 51.14 H new ATOM 0 HG23 THR A 53 19.751 14.052 -15.695 1.00 51.14 H new ATOM 803 N ASN A 54 17.542 13.993 -11.693 1.00 41.22 N ATOM 804 CA ASN A 54 17.176 12.920 -10.778 1.00 40.32 C ATOM 805 C ASN A 54 15.728 12.517 -10.956 1.00 24.15 C ATOM 806 O ASN A 54 15.373 11.357 -10.721 1.00 73.55 O ATOM 807 CB ASN A 54 17.441 13.270 -9.319 1.00 73.02 C ATOM 808 CG ASN A 54 18.896 13.548 -9.026 1.00 53.44 C ATOM 809 OD1 ASN A 54 19.797 13.024 -9.684 1.00 63.52 O ATOM 810 ND2 ASN A 54 19.135 14.356 -8.037 1.00 21.42 N ATOM 0 H ASN A 54 17.735 14.885 -11.237 1.00 41.22 H new ATOM 0 HA ASN A 54 17.817 12.076 -11.034 1.00 40.32 H new ATOM 0 HB2 ASN A 54 16.850 14.145 -9.049 1.00 73.02 H new ATOM 0 HB3 ASN A 54 17.101 12.449 -8.688 1.00 73.02 H new ATOM 0 HD21 ASN A 54 20.097 14.577 -7.780 1.00 21.42 H new ATOM 0 HD22 ASN A 54 18.361 14.769 -7.517 1.00 21.42 H new ATOM 817 N ASP A 55 14.882 13.442 -11.427 1.00 45.10 N ATOM 818 CA ASP A 55 13.490 13.105 -11.689 1.00 62.10 C ATOM 819 C ASP A 55 13.378 12.290 -12.912 1.00 62.32 C ATOM 820 O ASP A 55 12.507 11.425 -12.991 1.00 31.01 O ATOM 821 CB ASP A 55 12.512 14.286 -11.763 1.00 4.42 C ATOM 822 CG ASP A 55 12.281 15.008 -10.474 1.00 52.25 C ATOM 823 OD1 ASP A 55 12.279 14.367 -9.398 1.00 63.52 O ATOM 824 OD2 ASP A 55 12.058 16.222 -10.514 1.00 10.14 O ATOM 0 H ASP A 55 15.136 14.409 -11.629 1.00 45.10 H new ATOM 0 HA ASP A 55 13.183 12.540 -10.809 1.00 62.10 H new ATOM 0 HB2 ASP A 55 12.885 14.999 -12.498 1.00 4.42 H new ATOM 0 HB3 ASP A 55 11.554 13.920 -12.132 1.00 4.42 H new ATOM 829 N CYS A 56 14.225 12.539 -13.911 1.00 52.40 N ATOM 830 CA CYS A 56 14.198 11.644 -15.009 1.00 54.53 C ATOM 831 C CYS A 56 14.774 10.355 -14.635 1.00 72.10 C ATOM 832 O CYS A 56 14.346 9.395 -15.097 1.00 21.24 O ATOM 833 CB CYS A 56 14.748 12.129 -16.347 1.00 64.03 C ATOM 834 SG CYS A 56 16.438 12.718 -16.556 1.00 13.01 S ATOM 0 H CYS A 56 14.891 13.310 -13.964 1.00 52.40 H new ATOM 0 HA CYS A 56 13.133 11.552 -15.221 1.00 54.53 H new ATOM 0 HB2 CYS A 56 14.617 11.308 -17.052 1.00 64.03 H new ATOM 0 HB3 CYS A 56 14.095 12.938 -16.675 1.00 64.03 H new ATOM 839 N ARG A 57 15.739 10.350 -13.777 1.00 43.13 N ATOM 840 CA ARG A 57 16.268 9.064 -13.254 1.00 52.43 C ATOM 841 C ARG A 57 15.151 8.183 -12.688 1.00 40.13 C ATOM 842 O ARG A 57 15.165 6.964 -12.868 1.00 25.45 O ATOM 843 CB ARG A 57 17.287 9.280 -12.167 1.00 42.15 C ATOM 844 CG ARG A 57 18.402 10.162 -12.565 1.00 62.21 C ATOM 845 CD ARG A 57 19.653 9.848 -11.749 1.00 52.41 C ATOM 846 NE ARG A 57 20.163 8.486 -12.016 1.00 61.31 N ATOM 847 CZ ARG A 57 20.019 7.431 -11.201 1.00 63.51 C ATOM 848 NH1 ARG A 57 19.448 7.579 -10.008 1.00 1.42 N ATOM 849 NH2 ARG A 57 20.450 6.238 -11.587 1.00 55.22 N ATOM 0 H ARG A 57 16.192 11.186 -13.408 1.00 43.13 H new ATOM 0 HA ARG A 57 16.737 8.566 -14.103 1.00 52.43 H new ATOM 0 HB2 ARG A 57 16.791 9.707 -11.296 1.00 42.15 H new ATOM 0 HB3 ARG A 57 17.690 8.314 -11.862 1.00 42.15 H new ATOM 0 HG2 ARG A 57 18.612 10.035 -13.627 1.00 62.21 H new ATOM 0 HG3 ARG A 57 18.118 11.204 -12.419 1.00 62.21 H new ATOM 0 HD2 ARG A 57 20.429 10.577 -11.981 1.00 52.41 H new ATOM 0 HD3 ARG A 57 19.428 9.949 -10.687 1.00 52.41 H new ATOM 0 HE ARG A 57 20.665 8.337 -12.891 1.00 61.31 H new ATOM 0 HH11 ARG A 57 19.118 8.497 -9.711 1.00 1.42 H new ATOM 0 HH12 ARG A 57 19.340 6.774 -9.391 1.00 1.42 H new ATOM 0 HH21 ARG A 57 20.889 6.125 -12.501 1.00 55.22 H new ATOM 0 HH22 ARG A 57 20.342 5.433 -10.970 1.00 55.22 H new ATOM 863 N GLN A 58 14.236 8.817 -11.956 1.00 44.33 N ATOM 864 CA GLN A 58 13.059 8.142 -11.372 1.00 65.42 C ATOM 865 C GLN A 58 12.303 7.405 -12.399 1.00 53.42 C ATOM 866 O GLN A 58 12.121 6.188 -12.335 1.00 53.11 O ATOM 867 CB GLN A 58 12.103 9.130 -10.730 1.00 23.42 C ATOM 868 CG GLN A 58 12.699 10.025 -9.655 1.00 4.21 C ATOM 869 CD GLN A 58 13.493 9.256 -8.629 1.00 65.21 C ATOM 870 OE1 GLN A 58 12.944 8.757 -7.648 1.00 44.14 O ATOM 871 NE2 GLN A 58 14.790 9.238 -8.792 1.00 55.23 N ATOM 0 H GLN A 58 14.282 9.814 -11.746 1.00 44.33 H new ATOM 0 HA GLN A 58 13.449 7.458 -10.618 1.00 65.42 H new ATOM 0 HB2 GLN A 58 11.685 9.763 -11.513 1.00 23.42 H new ATOM 0 HB3 GLN A 58 11.274 8.573 -10.294 1.00 23.42 H new ATOM 0 HG2 GLN A 58 13.343 10.769 -10.124 1.00 4.21 H new ATOM 0 HG3 GLN A 58 11.897 10.568 -9.155 1.00 4.21 H new ATOM 0 HE21 GLN A 58 15.206 9.663 -9.621 1.00 55.23 H new ATOM 0 HE22 GLN A 58 15.386 8.798 -8.091 1.00 55.23 H new ATOM 880 N THR A 59 11.816 8.176 -13.243 1.00 4.11 N ATOM 881 CA THR A 59 11.176 7.874 -14.417 1.00 4.43 C ATOM 882 C THR A 59 12.011 6.849 -15.206 1.00 65.14 C ATOM 883 O THR A 59 11.761 5.632 -15.157 1.00 10.32 O ATOM 884 CB THR A 59 11.206 9.323 -15.045 1.00 61.32 C ATOM 885 OG1 THR A 59 10.417 10.245 -14.308 1.00 54.51 O ATOM 886 CG2 THR A 59 11.046 9.505 -16.507 1.00 1.12 C ATOM 0 H THR A 59 11.865 9.185 -13.104 1.00 4.11 H new ATOM 0 HA THR A 59 10.186 7.420 -14.365 1.00 4.43 H new ATOM 0 HB THR A 59 12.267 9.549 -14.936 1.00 61.32 H new ATOM 0 HG1 THR A 59 11.000 10.804 -13.753 1.00 54.51 H new ATOM 0 HG21 THR A 59 11.094 10.567 -16.749 1.00 1.12 H new ATOM 0 HG22 THR A 59 11.845 8.978 -17.029 1.00 1.12 H new ATOM 0 HG23 THR A 59 10.082 9.105 -16.820 1.00 1.12 H new ATOM 894 N CYS A 60 13.021 7.339 -15.775 1.00 20.25 N ATOM 895 CA CYS A 60 13.749 6.692 -16.849 1.00 11.45 C ATOM 896 C CYS A 60 14.804 7.615 -17.361 1.00 54.35 C ATOM 897 O CYS A 60 14.465 8.676 -17.894 1.00 30.33 O ATOM 898 CB CYS A 60 12.830 6.492 -18.107 1.00 53.24 C ATOM 899 SG CYS A 60 11.264 5.563 -17.989 1.00 61.35 S ATOM 0 H CYS A 60 13.410 8.246 -15.517 1.00 20.25 H new ATOM 0 HA CYS A 60 14.130 5.754 -16.445 1.00 11.45 H new ATOM 0 HB2 CYS A 60 12.585 7.485 -18.484 1.00 53.24 H new ATOM 0 HB3 CYS A 60 13.435 6.002 -18.870 1.00 53.24 H new ATOM 904 N GLN A 61 16.059 7.321 -17.181 1.00 22.52 N ATOM 905 CA GLN A 61 16.967 7.960 -18.056 1.00 72.24 C ATOM 906 C GLN A 61 17.495 6.956 -19.002 1.00 33.33 C ATOM 907 O GLN A 61 17.256 7.007 -20.159 1.00 11.11 O ATOM 908 CB GLN A 61 18.117 8.643 -17.400 1.00 11.22 C ATOM 909 CG GLN A 61 17.776 9.714 -16.441 1.00 45.40 C ATOM 910 CD GLN A 61 19.048 10.479 -16.087 1.00 40.01 C ATOM 911 OE1 GLN A 61 19.376 11.496 -16.705 1.00 12.31 O ATOM 912 NE2 GLN A 61 19.837 9.932 -15.213 1.00 62.41 N ATOM 0 H GLN A 61 16.448 6.686 -16.484 1.00 22.52 H new ATOM 0 HA GLN A 61 16.396 8.749 -18.547 1.00 72.24 H new ATOM 0 HB2 GLN A 61 18.710 7.892 -16.879 1.00 11.22 H new ATOM 0 HB3 GLN A 61 18.752 9.068 -18.177 1.00 11.22 H new ATOM 0 HG2 GLN A 61 17.038 10.389 -16.875 1.00 45.40 H new ATOM 0 HG3 GLN A 61 17.329 9.288 -15.543 1.00 45.40 H new ATOM 0 HE21 GLN A 61 19.543 9.092 -14.715 1.00 62.41 H new ATOM 0 HE22 GLN A 61 20.751 10.343 -15.024 1.00 62.41 H new ATOM 921 N TYR A 62 18.209 6.000 -18.434 1.00 13.21 N ATOM 922 CA TYR A 62 18.882 4.994 -19.202 1.00 4.12 C ATOM 923 C TYR A 62 18.406 3.568 -18.888 1.00 60.24 C ATOM 924 O TYR A 62 18.961 2.916 -18.002 1.00 45.01 O ATOM 925 CB TYR A 62 20.388 5.084 -18.952 1.00 3.42 C ATOM 926 CG TYR A 62 21.039 6.409 -19.304 1.00 22.20 C ATOM 927 CD1 TYR A 62 21.358 6.729 -20.614 1.00 53.12 C ATOM 928 CD2 TYR A 62 21.340 7.335 -18.311 1.00 24.33 C ATOM 929 CE1 TYR A 62 21.959 7.934 -20.924 1.00 22.35 C ATOM 930 CE2 TYR A 62 21.939 8.537 -18.613 1.00 60.12 C ATOM 931 CZ TYR A 62 22.247 8.833 -19.920 1.00 62.25 C ATOM 932 OH TYR A 62 22.842 10.040 -20.227 1.00 65.40 O ATOM 0 H TYR A 62 18.332 5.908 -17.426 1.00 13.21 H new ATOM 0 HA TYR A 62 18.644 5.188 -20.248 1.00 4.12 H new ATOM 0 HB2 TYR A 62 20.575 4.878 -17.898 1.00 3.42 H new ATOM 0 HB3 TYR A 62 20.880 4.296 -19.523 1.00 3.42 H new ATOM 0 HD1 TYR A 62 21.134 6.027 -21.403 1.00 53.12 H new ATOM 0 HD2 TYR A 62 21.099 7.107 -17.283 1.00 24.33 H new ATOM 0 HE1 TYR A 62 22.202 8.170 -21.949 1.00 22.35 H new ATOM 0 HE2 TYR A 62 22.166 9.243 -17.828 1.00 60.12 H new ATOM 0 HH TYR A 62 22.976 10.557 -19.405 1.00 65.40 H new ATOM 942 N PRO A 63 17.359 3.078 -19.536 1.00 32.33 N ATOM 943 CA PRO A 63 17.019 1.675 -19.504 1.00 71.25 C ATOM 944 C PRO A 63 17.839 1.009 -20.597 1.00 52.54 C ATOM 945 O PRO A 63 17.441 0.970 -21.780 1.00 2.45 O ATOM 946 CB PRO A 63 15.517 1.648 -19.844 1.00 54.40 C ATOM 947 CG PRO A 63 15.130 3.082 -19.959 1.00 22.14 C ATOM 948 CD PRO A 63 16.392 3.819 -20.300 1.00 12.53 C ATOM 0 HA PRO A 63 17.216 1.168 -18.559 1.00 71.25 H new ATOM 0 HB2 PRO A 63 15.331 1.112 -20.775 1.00 54.40 H new ATOM 0 HB3 PRO A 63 14.944 1.144 -19.066 1.00 54.40 H new ATOM 0 HG2 PRO A 63 14.374 3.222 -20.732 1.00 22.14 H new ATOM 0 HG3 PRO A 63 14.703 3.448 -19.025 1.00 22.14 H new ATOM 0 HD2 PRO A 63 16.606 3.797 -21.368 1.00 12.53 H new ATOM 0 HD3 PRO A 63 16.350 4.867 -20.005 1.00 12.53 H new ATOM 956 N VAL A 64 18.973 0.521 -20.220 1.00 30.40 N ATOM 957 CA VAL A 64 19.943 0.040 -21.162 1.00 75.33 C ATOM 958 C VAL A 64 20.062 -1.463 -21.153 1.00 61.11 C ATOM 959 O VAL A 64 19.378 -2.148 -20.385 1.00 65.12 O ATOM 960 CB VAL A 64 21.325 0.716 -20.975 1.00 12.35 C ATOM 961 CG1 VAL A 64 21.240 2.201 -21.301 1.00 12.00 C ATOM 962 CG2 VAL A 64 21.811 0.534 -19.552 1.00 31.13 C ATOM 0 H VAL A 64 19.260 0.442 -19.245 1.00 30.40 H new ATOM 0 HA VAL A 64 19.572 0.324 -22.147 1.00 75.33 H new ATOM 0 HB VAL A 64 22.032 0.244 -21.657 1.00 12.35 H new ATOM 0 HG11 VAL A 64 22.219 2.660 -21.164 1.00 12.00 H new ATOM 0 HG12 VAL A 64 20.920 2.329 -22.335 1.00 12.00 H new ATOM 0 HG13 VAL A 64 20.520 2.679 -20.637 1.00 12.00 H new ATOM 0 HG21 VAL A 64 22.783 1.014 -19.435 1.00 31.13 H new ATOM 0 HG22 VAL A 64 21.098 0.987 -18.863 1.00 31.13 H new ATOM 0 HG23 VAL A 64 21.903 -0.530 -19.332 1.00 31.13 H new ATOM 972 N GLY A 65 20.925 -1.963 -21.995 1.00 22.04 N ATOM 973 CA GLY A 65 21.027 -3.364 -22.200 1.00 21.23 C ATOM 974 C GLY A 65 22.471 -3.715 -22.316 1.00 60.24 C ATOM 975 O GLY A 65 23.097 -4.001 -21.301 1.00 74.33 O ATOM 976 OXT GLY A 65 23.027 -3.613 -23.424 1.00 0.00 O ATOM 0 H GLY A 65 21.571 -1.404 -22.552 1.00 22.04 H new ATOM 0 HA2 GLY A 65 20.570 -3.904 -21.370 1.00 21.23 H new ATOM 0 HA3 GLY A 65 20.491 -3.656 -23.103 1.00 21.23 H new TER 980 GLY A 65